CID 6455056

9-(1,1-dimethylpropyl)-1,5-dioxaspiro(5.5)undecane

Structural Information

Molecular Formula
C14H26O2
SMILES
CCC(C)(C)C1CCC2(CC1)OCCCO2
InChI
InChI=1S/C14H26O2/c1-4-13(2,3)12-6-8-14(9-7-12)15-10-5-11-16-14/h12H,4-11H2,1-3H3
InChIKey
SBNZDZRTYKBQSF-UHFFFAOYSA-N
Compound name
9-(2-methylbutan-2-yl)-1,5-dioxaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 154.6
[M+Na]+ 249.182498 157.2
[M-H]- 225.186004 159.8
[M+NH4]+ 244.227103 172.0
[M+K]+ 265.156438 158.2
[M+H-H2O]+ 209.190540 148.8
[M+HCOO]- 271.191481 167.3
[M+CH3COO]- 285.207131 188.7
[M+Na-2H]- 247.167946 161.0
[M]+ 226.19273142 149.8
[M]- 226.19382858 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.